ChemSpider 2D Image | 2-Propyn-1-yl (2R)-2-({4-[(5-chloro-3-fluoro-2-pyridinyl)oxy](~2~H_4_)phenyl}oxy)propanoate | C17H9D4ClFNO4

2-Propyn-1-yl (2R)-2-({4-[(5-chloro-3-fluoro-2-pyridinyl)oxy](2H4)phenyl}oxy)propanoate

  • Molecular FormulaC17H9D4ClFNO4
  • Average mass353.766 Da
  • Monoisotopic mass353.076813 Da
  • ChemSpider ID58781375

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2R)-2-({4-[(5-Chloro-3-fluoro-2-pyridinyl)oxy](2H4)phényl}oxy)propanoate de 2-propyn-1-yle [French] [ACD/IUPAC Name]
2-Propin-1-yl-(2R)-2-({4-[(5-chlor-3-fluor-2-pyridinyl)oxy](2H4)phenyl}oxy)propanoat [German] [ACD/IUPAC Name]
2-Propyn-1-yl (2R)-2-({4-[(5-chloro-3-fluoro-2-pyridinyl)oxy](2H4)phenyl}oxy)propanoate [ACD/IUPAC Name]
Propanoic acid, 2-[[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl-2,3,5,6-d4]oxy]-, 2-propyn-1-yl ester, (2R)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 432.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.8±3.0 kJ/mol
Flash Point: 215.5±28.7 °C
Index of Refraction: 1.559
Molar Refractivity: 85.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.33
ACD/LogD (pH 5.5): 3.10
ACD/BCF (pH 5.5): 132.46
ACD/KOC (pH 5.5): 1149.76
ACD/LogD (pH 7.4): 3.10
ACD/BCF (pH 7.4): 132.46
ACD/KOC (pH 7.4): 1149.76
Polar Surface Area: 58 Å2
Polarizability: 33.7±0.5 10-24cm3
Surface Tension: 47.6±3.0 dyne/cm
Molar Volume: 263.6±3.0 cm3

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